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Benzoic acid, 2-mercapto-5-methoxy-
SpectraBase Compound ID EhTTQKxOrWI
InChI InChI=1S/C8H8O3S/c1-11-5-2-3-7(12)6(4-5)8(9)10/h2-4,12H,1H3,(H,9,10)
InChIKey XGRXETKKISMBSZ-UHFFFAOYSA-N
Mol Weight 184.21 g/mol
Molecular Formula C8H8O3S
Exact Mass 184.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWzXUu8XgaF
Name Benzoic acid, 2-mercapto-5-methoxy-
CAS Registry Number 16807-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O3S
InChI InChI=1S/C8H8O3S/c1-11-5-2-3-7(12)6(4-5)8(9)10/h2-4,12H,1H3,(H,9,10)
InChIKey XGRXETKKISMBSZ-UHFFFAOYSA-N
Molecular Weight 184.209 g/mol
SMILES OC(c1cc(ccc1S)OC)=O
SPLASH splash10-014i-0900000000-b2b141c43dcae6cc55a4
Source of Spectrum T-67-938-0
Synonyms 5-Methoxy-2-sulfanylbenzoic acid 2-Mercapto-5-methoxy-benzoic acid 5-Methoxythiosalicylic acid m-Anisic acid, 6-mercapto- 2-Mercapto-5-methoxybenzoic acid NSC 372684
Wiley ID 1180115